[1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexyl]methanamine

C20H24FNO — CID 117498798

IUPAC[1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexyl]methanamine
SMILESNCC1(c2ccc(OCc3ccccc3)c(F)c2)CCCCC1
InChIInChI=1S/C20H24FNO/c21-18-13-17(20(15-22)11-5-2-6-12-20)9-10-19(18)23-14-16-7-3-1-4-8-16/h1,3-4,7-10,13H,2,5-6,11-12,14-15,22H2
InChIKeyBHPMBMSIEXOEGB-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.57
Rot. Bonds5

About [1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexyl]methanamine

[1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexyl]methanamine (PubChem CID 117498798) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is [1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexyl]methanamine
PubChem CID117498798
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC Name[1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexyl]methanamine
SMILESNCC1(c2ccc(OCc3ccccc3)c(F)c2)CCCCC1
InChIInChI=1S/C20H24FNO/c21-18-13-17(20(15-22)11-5-2-6-12-20)9-10-19(18)23-14-16-7-3-1-4-8-16/h1,3-4,7-10,13H,2,5-6,11-12,14-15,22H2
InChIKeyBHPMBMSIEXOEGB-UHFFFAOYSA-N
XLogP4.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine
CID 82499353
[1-(3-phenylmethoxyphenyl)cyclopentyl]methanamine
CID 117451817
4,4-difluoro-1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexan-1-amine
CID 146572380
1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine
CID 117459786
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
2-[1-(aminomethyl)cyclohexyl]-6-phenylmethoxyphenol
CID 117496323
[1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine
CID 117432913
[4-(3-fluoro-4-phenylmethoxyphenoxy)phenyl]methanamine
CID 143961012
(1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 68939021
[1-(4-methoxy-3-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117418161
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
CID 82499570

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexyl]methanamine (CID 117498798) is [1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexyl]methanamine is NCC1(c2ccc(OCc3ccccc3)c(F)c2)CCCCC1.
What is the InChIKey of [1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexyl]methanamine?
The InChIKey is BHPMBMSIEXOEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO/c21-18-13-17(20(15-22)11-5-2-6-12-20)9-10-19(18)23-14-16-7-3-1-4-8-16/h1,3-4,7-10,13H,2,5-6,11-12,14-15,22H2.
What are the key properties of [1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexyl]methanamine?
[1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexyl]methanamine has a molecular weight of 313.42 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117498798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).